Utilize este identificador para referenciar este registo:
https://hdl.handle.net/1822/65586
Título: | Identifying new isatin derivatives with GSK-3 inhibition capacity through molecular docking and bioassays |
Autor(es): | Britto, Karolinni B. Francisco, Carla S. Ferreira, Débora Borges, Bárbara J. P. Conti, Raphael Profeti, Demetrius Rodrigues, L. R. Lacerda Jr. , Valdemar Morais, Pedro A. B. Borges, Warley S. |
Palavras-chave: | isatin derivatives GSK-3ß molecular docking GSK-3β |
Data: | Mar-2020 |
Editora: | Sociedade Brasileira de Química |
Revista: | Journal of the Brazilian Chemical Society |
Citação: | Britto, Karolinni B.; Francisco, Carla S.; Ferreira, Débora; Borges, Bárbara J. P.; Conti, Raphael; Profeti, Demetrius; Rodrigues, Lígia R.; Lacerda Jr. , Valdemar; Morais, Pedro A. B.; Borges, Warley S., Identifying new isatin derivatives with GSK-3 inhibition capacity through molecular docking and bioassays. Journal of the Brazilian Chemical Society, 31(3), 476-487, 2020 |
Resumo(s): | The semi-synthesis of 11 isatin derivatives was achieved through bimolecular nucleophilic substitution and click chemistry. Seven new compounds were obtained. All chemical structures were determined by infrared spectroscopy (IR), nuclear magnetic resonance spectrometry (NMR) and high-resolution mass spectrometry (HRMS) data. These derivatives were evaluated for their anti-GSK-3 activity and all isatin derivatives (N-alkyl and 1,2,3-triazolic) exhibited strong inhibitory activity, with 2b and 4h exhibiting remarkable potency. In addition, docking studies were performed with 2b and 2e models to unravel the molecular mechanism underlying the polar interactions on the GSK-3 ATP-binding site. |
Tipo: | Artigo |
URI: | https://hdl.handle.net/1822/65586 |
DOI: | 10.21577/0103-5053.20190206 |
ISSN: | 0103-5053 |
Versão da editora: | http://jbcs.sbq.org.br |
Arbitragem científica: | yes |
Acesso: | Acesso aberto |
Aparece nas coleções: | CEB - Publicações em Revistas/Séries Internacionais / Publications in International Journals/Series |
Ficheiros deste registo:
Ficheiro | Descrição | Tamanho | Formato | |
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document_51965_1.pdf | 1,61 MB | Adobe PDF | Ver/Abrir |